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首页> 外文期刊>Journal of Molecular Structure >Crystal structure of 3 beta,12 alpha-dihydroxy-5 beta-cholan-24-oic acid (iso-deoxycholic acid)
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Crystal structure of 3 beta,12 alpha-dihydroxy-5 beta-cholan-24-oic acid (iso-deoxycholic acid)

机译:3 beta,12 alpha-dihydroxy-5 beta-cholan-24-oic acid(iso-deoxycholic acid)的晶体结构

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Iso-deoxycholic acid (3 beta,12 alpha-dihydroxy-5 beta-cholan-24-oic acid, iso-DCA), the 3 beta hydroxy epimer of deoxycholic acid (DCA), was synthesized from deoxycholic acid. The crystals, obtained by recrystallization from p-xylene, are orthorhombic, space group P2(1)2(1)2(1), with a = 7.3232(6), b = 10.5938(16) and c = 28.2957(18) Angstrom. The crystals contained no inclusion molecules, and thus differed from those of DCA when recrystallized from o-, m- and p-xylene. This absence of solvate molecules could explain the reduction of approximate to 3 Angstrom in the b-axis length in iso-DCA when compared with that of DCA with xylene guests. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 56]
机译:由脱氧胆酸合成了异脱氧胆酸(3β,12α-dihydroxy-5beta-cholan-24-oic acid,iso-DCA),这是脱氧胆酸(DCA)的3β羟基差向异构体。由对二甲苯重结晶获得的晶体是正交晶的,空间群P2(1)2(1)2(1),a = 7.3232(6),b = 10.5938(16)和c = 28.2957(18)埃。该晶体不含夹杂物分子,因此从邻二甲苯,间二甲苯和对二甲苯重结晶时,它们不同于DCA。与具有二甲苯客体的DCA相比,不存在溶剂化物分子可以解释异DCA的b轴长度减少了大约3埃。 (C)2000 Elsevier Science B.V.保留所有权利。 [参考:56]

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